#include <integrator.h>
◆ a [1/2]
real* DftIntegratorBl_::a |
◆ a [2/2]
real(* DftIntegratorBl_::a)[3] |
◆ atv
real* DftIntegratorBl_::atv |
Referenced by dft_integrate(), dft_integrator_bl_free(), dft_integrator_bl_new(), XCDistributorGgaBlas::distribute(), XCDistributorGga< Matrix >::distribute(), XCDistributorGgaU< Matrix >::distribute(), XCDistributorLdaBlas::distribute(), XCDistributorLda< Matrix >::distribute(), integrate_density_and_energy(), lin_resp_cb_b_gga(), and lin_resp_cb_b_lda().
◆ b [1/2]
real * DftIntegratorBl_::b |
◆ b [2/2]
real((* DftIntegratorBl_::b)[3] |
◆ bas_bl_cnt
int DftIntegratorBl_::bas_bl_cnt[8] |
◆ basblocks
int(* DftIntegratorBl_::basblocks)[2] |
◆ coor
real(* DftIntegratorBl_::coor)[3] |
◆ curr_point
int DftIntegratorBl_::curr_point |
◆ curr_weight
real DftIntegratorBl_::curr_weight |
◆ dfthri
real DftIntegratorBl_::dfthri |
◆ dogga
int DftIntegratorBl_::dogga |
union { ... } DftIntegratorBl_::g |
◆ grad
real(* DftIntegratorBl_::grad)[3] |
◆ ho
struct { ... } DftIntegratorBl_::ho |
◆ london_off
int DftIntegratorBl_::london_off |
◆ nbast
int DftIntegratorBl_::nbast |
◆ ndmat
int DftIntegratorBl_::ndmat |
◆ needgb
int DftIntegratorBl_::needgb |
◆ needlap
int DftIntegratorBl_::needlap |
◆ nsym
int DftIntegratorBl_::nsym |
◆ ntypso
int DftIntegratorBl_::ntypso |
union { ... } DftIntegratorBl_::r |
Referenced by callbackGga(), callbackLda(), dft_integrate(), dft_integrator_bl_free(), dft_integrator_bl_new(), integrate_density_and_energy(), lin_resp_cb_b_lda(), xcCallbackGgaR(), xcCallbackGgaU(), xcCallbackLdaR(), and xcCallbackLdaU().
◆ rad
struct { ... } DftIntegratorBl_::rad |
◆ rho
real* DftIntegratorBl_::rho |
◆ shl_bl_cnt
int DftIntegratorBl_::shl_bl_cnt |
◆ shlblocks
int(* DftIntegratorBl_::shlblocks)[2] |
◆ tgrad
real DftIntegratorBl_::tgrad[3] |
◆ weight
real* DftIntegratorBl_::weight |
Referenced by callbackGga(), callbackLda(), dft_integrate(), dft_integrator_bl_free(), dft_integrator_bl_new(), integrate_density_and_energy(), lin_resp_cb_b_lda(), xcCallbackGgaR(), xcCallbackGgaU(), xcCallbackLdaR(), and xcCallbackLdaU().
The documentation for this struct was generated from the following file: